==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 27-SEP-10 3OZQ . COMPND 2 MOLECULE: SERPIN48; . SOURCE 2 ORGANISM_SCIENTIFIC: TENEBRIO MOLITOR; . AUTHOR S.H.PARK,S.PIAO,N.-C.HA . 364 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 29 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 0 1 1 1 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 0 2 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 14 A G 0 0 28 0, 0.0 2,-0.4 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 -85.3 2.6 -490.4 -1.3 2 15 A H - 0 0 41 68,-0.3 3,-0.5 1,-0.1 72,-0.1 -0.942 360.0-150.3 -96.6 137.6 -0.3 -490.3 -3.7 3 16 A M + 0 0 133 -2,-0.4 -1,-0.1 1,-0.2 67,-0.0 0.450 64.8 106.6-101.3 -10.1 1.2 -489.8 -7.1 4 17 A E 0 0 127 1,-0.1 -1,-0.2 0, 0.0 66,-0.0 0.680 360.0 360.0 -50.0 -16.4 -1.1 -487.8 -9.4 5 18 A D 0 0 167 -3,-0.5 -1,-0.1 0, 0.0 -2,-0.1 -0.097 360.0 360.0-171.3 360.0 1.3 -485.0 -8.8 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 22 A Q > 0 0 133 0, 0.0 4,-0.6 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 161.1 7.7 -485.0 -3.4 8 23 A E H > + 0 0 102 2,-0.2 4,-0.9 3,-0.2 57,-0.0 0.376 360.0 60.4-107.2 2.5 5.9 -482.0 -1.9 9 24 A F H > S+ 0 0 16 2,-0.2 4,-2.1 3,-0.1 5,-0.2 0.854 109.0 44.8 -84.5 -48.5 4.7 -483.4 1.4 10 25 A P H > S+ 0 0 17 0, 0.0 4,-1.4 0, 0.0 346,-0.3 0.870 116.5 51.0 -52.0 -34.5 8.3 -484.1 2.4 11 26 A N H X S+ 0 0 104 -4,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.855 105.2 52.9 -73.5 -37.3 8.8 -480.5 1.0 12 27 A A H X S+ 0 0 12 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.858 107.8 52.4 -67.6 -35.6 5.9 -479.0 3.1 13 28 A V H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.915 105.8 54.4 -63.3 -44.7 7.4 -480.4 6.3 14 29 A N H < S+ 0 0 36 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 112.2 42.4 -63.4 -34.5 10.8 -478.9 5.5 15 30 A S H X S+ 0 0 67 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.790 112.5 54.9 -80.8 -27.7 9.3 -475.4 5.1 16 31 A F H X S+ 0 0 13 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.839 97.0 70.3 -66.1 -33.6 7.1 -476.0 8.2 17 32 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.898 98.1 42.2 -58.1 -53.0 10.3 -476.8 10.2 18 33 A P H > S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.841 112.8 55.4 -65.0 -32.9 11.9 -473.3 10.4 19 34 A S H X S+ 0 0 54 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.915 111.5 44.5 -64.0 -43.1 8.5 -471.8 11.1 20 35 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 3,-0.3 0.941 111.4 52.7 -63.9 -47.2 8.1 -474.1 14.0 21 36 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.925 106.7 53.6 -53.9 -47.9 11.6 -473.6 15.3 22 37 A K H X S+ 0 0 83 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.860 112.5 44.2 -58.8 -38.1 11.1 -469.8 15.2 23 38 A E H >X S+ 0 0 22 -4,-1.4 3,-1.3 -3,-0.3 4,-0.6 0.942 110.7 52.0 -70.8 -48.2 8.0 -470.2 17.4 24 39 A V H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 3,-1.4 0.880 99.8 65.5 -59.4 -39.1 9.5 -472.7 19.9 25 40 A L H 3< S+ 0 0 38 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.828 90.2 66.8 -44.0 -42.0 12.4 -470.4 20.4 26 41 A K H << S+ 0 0 137 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.827 114.2 26.7 -56.3 -36.2 10.1 -467.8 22.0 27 42 A T H << S+ 0 0 68 -3,-1.4 2,-0.5 -4,-0.6 -1,-0.2 0.668 110.2 76.5-103.3 -22.8 9.4 -470.1 25.0 28 43 A E < - 0 0 37 -4,-2.3 4,-0.1 1,-0.1 -1,-0.0 -0.813 52.5-179.0 -94.0 126.5 12.6 -472.1 25.0 29 44 A K + 0 0 157 -2,-0.5 -1,-0.1 2,-0.1 2,-0.1 0.481 69.1 9.0-104.4 -6.4 15.5 -470.2 26.5 30 45 A A S S- 0 0 27 1,-0.4 2,-0.1 331,-0.1 331,-0.1 -0.237 115.9 -3.3-138.8-129.1 18.3 -472.8 26.2 31 46 A N + 0 0 30 -2,-0.1 -1,-0.4 333,-0.1 2,-0.3 -0.394 65.1 170.7 -70.8 147.4 18.5 -476.2 24.5 32 47 A F E -A 361 0A 0 329,-1.6 329,-1.9 -3,-0.1 2,-0.4 -0.989 23.2-158.3-151.3 164.6 15.5 -477.6 22.7 33 48 A L E +A 360 0A 1 -2,-0.3 2,-0.3 327,-0.2 327,-0.2 -0.994 18.5 172.4-138.1 134.9 14.4 -480.4 20.4 34 49 A V E -A 359 0A 0 325,-2.5 325,-2.5 -2,-0.4 3,-0.1 -0.992 26.1-148.9-143.8 148.0 11.2 -480.4 18.3 35 50 A S > + 0 0 0 -2,-0.3 4,-2.2 323,-0.2 5,-0.2 -0.818 17.0 172.9-115.9 89.6 9.6 -482.6 15.6 36 51 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.916 82.5 56.9 -58.0 -38.5 7.6 -480.4 13.3 37 52 A F H > S+ 0 0 0 319,-0.2 4,-2.1 320,-0.2 5,-0.2 0.955 108.1 43.3 -55.6 -55.0 7.1 -483.5 11.1 38 53 A S H > S+ 0 0 1 319,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.927 113.8 50.2 -62.8 -45.4 5.5 -485.6 13.8 39 54 A A H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.914 108.8 56.1 -54.6 -42.1 3.3 -482.8 15.1 40 55 A A H X S+ 0 0 5 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.893 105.4 49.1 -61.3 -42.8 2.3 -482.3 11.4 41 56 A T H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.836 112.4 48.8 -66.1 -32.0 1.1 -485.9 11.0 42 57 A L H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.942 111.0 48.6 -72.4 -45.1 -0.9 -485.7 14.2 43 58 A L H X S+ 0 0 3 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.839 108.0 56.1 -63.4 -33.0 -2.5 -482.4 13.2 44 59 A A H X S+ 0 0 1 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.887 105.9 51.0 -64.3 -38.5 -3.3 -484.0 9.8 45 60 A L H X S+ 0 0 0 -4,-1.5 4,-0.7 2,-0.2 3,-0.5 0.968 112.4 46.4 -59.7 -52.5 -5.1 -486.8 11.7 46 61 A A H >< S+ 0 0 2 -4,-2.6 3,-1.9 1,-0.2 4,-0.3 0.931 108.0 56.9 -50.5 -51.6 -7.1 -484.1 13.6 47 62 A Q H >< S+ 0 0 4 -4,-3.1 3,-1.5 1,-0.3 -1,-0.2 0.839 98.6 61.1 -52.1 -36.2 -7.7 -482.3 10.3 48 63 A S H 3< S+ 0 0 20 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.753 104.8 47.5 -68.0 -22.1 -9.3 -485.4 8.9 49 64 A G T << S+ 0 0 1 -3,-1.9 249,-2.3 -4,-0.7 250,-0.8 0.329 101.8 85.1 -97.7 3.5 -12.0 -485.4 11.6 50 65 A C < - 0 0 4 -3,-1.5 2,-0.3 -4,-0.3 246,-0.2 -0.498 62.1-153.5 -99.4 173.3 -12.7 -481.7 11.1 51 66 A R >> - 0 0 119 244,-1.5 4,-1.1 -2,-0.2 3,-0.9 -0.940 44.7 -6.4-144.6 162.0 -15.0 -479.9 8.6 52 67 A G H 3> S- 0 0 54 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.184 123.6 -10.2 59.2-135.4 -15.6 -476.7 6.7 53 68 A D H 3> S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.847 133.0 62.9 -71.3 -32.4 -13.3 -473.8 7.5 54 69 A T H <> S+ 0 0 3 -3,-0.9 4,-1.7 239,-0.2 235,-0.2 0.972 110.3 36.7 -48.1 -63.3 -11.8 -475.6 10.6 55 70 A A H X S+ 0 0 14 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.837 115.5 56.5 -63.7 -33.3 -10.4 -478.4 8.5 56 71 A E H X S+ 0 0 87 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.874 103.5 52.9 -69.1 -40.1 -9.5 -476.0 5.7 57 72 A E H X S+ 0 0 35 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.975 107.7 50.5 -55.9 -57.2 -7.4 -473.8 7.9 58 73 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.3 6,-0.2 0.878 111.2 50.6 -49.9 -39.3 -5.3 -476.7 9.2 59 74 A R H <>S+ 0 0 74 -4,-1.6 5,-1.9 1,-0.2 -1,-0.3 0.909 108.6 51.9 -65.1 -42.8 -4.8 -477.6 5.5 60 75 A Q H ><5S+ 0 0 112 -4,-2.3 3,-0.7 -3,-0.3 -2,-0.2 0.887 112.4 44.5 -60.8 -44.4 -3.7 -474.1 4.7 61 76 A V H 3<5S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.869 110.7 51.2 -75.3 -35.2 -1.1 -474.0 7.5 62 77 A L T 3<5S- 0 0 12 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.545 102.5-138.6 -72.6 -0.4 0.3 -477.4 6.8 63 78 A H T < 5 + 0 0 153 -3,-0.7 -3,-0.2 1,-0.2 2,-0.1 0.856 52.0 159.3 36.9 38.7 0.5 -476.0 3.3 64 79 A F < - 0 0 11 -5,-1.9 -1,-0.2 -6,-0.2 -55,-0.1 -0.464 43.6 -83.3 -87.0 161.0 -0.7 -479.5 2.6 65 80 A V - 0 0 35 -2,-0.1 6,-0.1 -3,-0.1 -1,-0.1 -0.203 29.2-126.4 -74.2 155.6 -2.5 -480.7 -0.5 66 81 A G S S+ 0 0 46 4,-0.1 -1,-0.1 5,-0.1 -2,-0.0 0.928 80.5 80.2 -65.2 -53.0 -6.3 -480.4 -1.2 67 82 A D > - 0 0 73 1,-0.1 4,-2.8 4,-0.1 5,-0.2 -0.301 67.0-145.3 -69.5 140.8 -7.4 -483.9 -2.1 68 83 A R H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.784 99.3 52.8 -79.2 -28.9 -8.1 -486.3 0.8 69 84 A E H > S+ 0 0 102 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.875 114.6 46.4 -68.1 -35.4 -6.9 -489.5 -0.9 70 85 A K H > S+ 0 0 44 2,-0.2 4,-3.6 3,-0.2 -68,-0.3 0.981 112.7 45.8 -69.9 -59.0 -3.7 -487.6 -1.6 71 86 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.939 118.9 43.3 -46.7 -53.6 -3.2 -486.1 1.8 72 87 A E H X S+ 0 0 56 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.910 116.5 46.2 -63.9 -44.3 -3.9 -489.4 3.5 73 88 A G H X S+ 0 0 26 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.918 112.2 52.1 -62.3 -44.0 -1.9 -491.4 1.0 74 89 A A H X S+ 0 0 11 -4,-3.6 4,-1.8 1,-0.2 -2,-0.2 0.922 112.9 42.5 -60.0 -49.8 1.0 -489.0 1.2 75 90 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.853 110.8 57.9 -64.7 -35.9 1.2 -489.1 5.0 76 91 A K H X S+ 0 0 101 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.885 106.3 49.5 -63.9 -37.7 0.8 -492.9 4.9 77 92 A E H X S+ 0 0 65 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.960 110.8 46.2 -67.9 -52.2 3.9 -493.3 2.7 78 93 A V H >X S+ 0 0 12 -4,-1.8 4,-1.3 1,-0.2 3,-0.9 0.953 112.9 50.2 -56.0 -50.6 6.3 -491.1 4.8 79 94 A L H 3< S+ 0 0 36 -4,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.861 106.6 55.1 -57.7 -38.5 5.3 -492.8 8.0 80 95 A S H >< S+ 0 0 66 -4,-1.5 3,-0.5 -5,-0.2 -1,-0.3 0.797 108.0 50.0 -65.4 -28.3 5.7 -496.3 6.6 81 96 A K H << S+ 0 0 78 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.755 85.9 81.0 -85.2 -24.5 9.3 -495.5 5.6 82 97 A L T 3< S+ 0 0 10 -4,-1.3 7,-1.5 -3,-0.2 2,-0.5 0.304 80.9 83.3 -68.4 13.7 10.5 -494.1 8.9 83 98 A T B < +I 88 0B 92 -3,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.988 62.3 159.3-116.0 120.0 10.9 -497.8 9.9 84 99 A N - 0 0 49 3,-1.9 -2,-0.0 -2,-0.5 142,-0.0 -0.731 53.1-118.7-130.7 171.8 14.2 -499.2 8.7 85 100 A E S S+ 0 0 184 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.812 118.0 43.6 -78.8 -33.3 16.4 -502.1 9.5 86 101 A E S S+ 0 0 82 1,-0.2 86,-0.5 140,-0.1 2,-0.3 0.630 124.9 13.5 -87.7 -19.3 19.1 -499.6 10.4 87 102 A Y - 0 0 1 84,-0.1 -3,-1.9 139,-0.1 2,-0.4 -0.993 59.6-152.1-160.3 152.8 17.1 -497.1 12.4 88 103 A T E -IJ 83 170B 45 82,-2.2 82,-2.0 -2,-0.3 2,-0.6 -0.985 8.6-152.5-138.0 128.9 13.7 -496.5 14.1 89 104 A L E - J 0 169B 21 -7,-1.5 2,-0.5 -2,-0.4 80,-0.2 -0.871 20.2-157.2 -89.7 124.6 11.4 -493.6 14.9 90 105 A H E + J 0 168B 51 78,-2.8 78,-1.8 -2,-0.6 2,-0.4 -0.915 17.5 173.7-103.2 127.8 9.3 -494.4 18.0 91 106 A T E - J 0 167B 40 -2,-0.5 2,-0.4 76,-0.2 76,-0.2 -0.988 25.4-168.8-134.1 143.9 6.1 -492.4 18.4 92 107 A A E + J 0 166B 2 74,-3.1 74,-2.1 -2,-0.4 2,-0.5 -0.855 25.6 168.8-128.1 95.2 3.2 -492.5 20.8 93 108 A N E + J 0 165B 4 23,-0.4 25,-1.5 -2,-0.4 2,-0.3 -0.928 3.3 162.7-113.6 130.9 0.6 -490.3 19.2 94 109 A K E -kJ 118 164B 0 70,-2.2 70,-3.1 -2,-0.5 2,-0.6 -0.998 33.2-146.8-149.5 147.9 -3.0 -490.2 20.5 95 110 A I E -kJ 119 163B 0 23,-2.4 25,-1.9 -2,-0.3 2,-0.4 -0.942 22.0-163.0-116.2 104.3 -6.1 -488.1 20.4 96 111 A Y E -kJ 120 162B 0 66,-2.4 66,-2.5 -2,-0.6 2,-0.4 -0.790 9.2-159.9 -89.6 134.4 -8.0 -488.4 23.7 97 112 A V E -kJ 121 161B 0 23,-2.8 25,-2.5 -2,-0.4 64,-0.2 -0.913 28.1 -92.7-124.7 140.0 -11.6 -487.3 23.6 98 113 A K E > -k 122 0B 51 62,-2.4 3,-2.0 -2,-0.4 25,-0.2 -0.158 38.1-125.3 -47.2 130.9 -14.1 -486.2 26.3 99 114 A T T 3 S+ 0 0 63 23,-1.1 -1,-0.1 1,-0.3 24,-0.1 0.806 103.2 71.9 -55.7 -31.3 -16.1 -489.3 27.4 100 115 A N T 3 S+ 0 0 108 1,-0.2 2,-0.7 22,-0.2 -1,-0.3 0.793 96.7 54.1 -56.3 -28.3 -19.4 -487.6 26.7 101 116 A F S < S- 0 0 48 -3,-2.0 -1,-0.2 199,-0.1 3,-0.1 -0.819 86.3-139.7-118.7 93.4 -18.8 -487.9 23.0 102 117 A S - 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